Mercurial > repos > galaxyp > maxquant
view test-data/mqpar/txt/mqpar.xml @ 18:163452d1e255 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit 9d6014f26ea5d3737320ec56749207e6fe602025
author | galaxyp |
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date | Sun, 13 Nov 2022 19:11:10 +0000 |
parents | 97a7f34fcb6a |
children | 8934bc76bb52 |
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<?xml version="1.0" ?> <MaxQuantParams> <fastaFiles> <FastaFileInfo> <fastaFilePath>/tmp/tmpfjtbnut8/files/c/c/5/dataset_cc5df07a-ee7c-4aa9-a851-1d22973dc663.dat</fastaFilePath> <identifierParseRule>>([^\s]*)</identifierParseRule> <descriptionParseRule>>(.*)</descriptionParseRule> <taxonomyParseRule/> <variationParseRule/> <modificationParseRule/> <taxonomyId/> </FastaFileInfo> </fastaFiles> <fastaFilesProteogenomics> </fastaFilesProteogenomics> <fastaFilesFirstSearch> </fastaFilesFirstSearch> <fixedSearchFolder/> <andromedaCacheSize>350000</andromedaCacheSize> <advancedRatios>True</advancedRatios> <pvalThres>0.005</pvalThres> <rtShift>False</rtShift> <separateLfq>False</separateLfq> <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios> <lfqRequireMsms>True</lfqRequireMsms> <decoyMode>revert</decoyMode> <boxCarMode>all</boxCarMode> <includeContaminants>True</includeContaminants> <maxPeptideMass>4600</maxPeptideMass> <epsilonMutationScore>True</epsilonMutationScore> <mutatedPeptidesSeparately>True</mutatedPeptidesSeparately> <proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately> <minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides> <minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides> <minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides> <minScoreModifiedPeptides>40</minScoreModifiedPeptides> <secondPeptide>True</secondPeptide> <matchBetweenRuns>False</matchBetweenRuns> <matchUnidentifiedFeatures>False</matchUnidentifiedFeatures> <matchBetweenRunsFdr>False</matchBetweenRunsFdr> <dependentPeptides>False</dependentPeptides> <dependentPeptideFdr>0</dependentPeptideFdr> <dependentPeptideMassBin>0</dependentPeptideMassBin> <dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns> <dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment> <dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup> <dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions> <dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference> <ibaq>False</ibaq> <top3>False</top3> <independentEnzymes>False</independentEnzymes> <useDeltaScore>False</useDeltaScore> <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy> <taxonomyLevel>Species</taxonomyLevel> <avalon>False</avalon> <nModColumns>3</nModColumns> <ibaqLogFit>False</ibaqLogFit> <razorProteinFdr>True</razorProteinFdr> <deNovoSequencing>False</deNovoSequencing> <deNovoVarMods>True</deNovoVarMods> <massDifferenceSearch>False</massDifferenceSearch> <isotopeCalc>False</isotopeCalc> <writePeptidesForSpectrumFile/> <intensityPredictionsFile> </intensityPredictionsFile> <minPepLen>7</minPepLen> <psmFdrCrosslink>0.01</psmFdrCrosslink> <peptideFdr>0.01</peptideFdr> <proteinFdr>0.01</proteinFdr> <siteFdr>0.01</siteFdr> <minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch> <maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch> <useNormRatiosForOccupancy>True</useNormRatiosForOccupancy> <minPeptides>1</minPeptides> <minRazorPeptides>1</minRazorPeptides> <minUniquePeptides>0</minUniquePeptides> <useCounterparts>False</useCounterparts> <advancedSiteIntensities>True</advancedSiteIntensities> <customProteinQuantification>False</customProteinQuantification> <customProteinQuantificationFile/> <minRatioCount>2</minRatioCount> <restrictProteinQuantification>True</restrictProteinQuantification> <restrictMods> <string>Oxidation (M)</string> <string>Acetyl (Protein N-term)</string> </restrictMods> <matchingTimeWindow>0</matchingTimeWindow> <matchingIonMobilityWindow>0</matchingIonMobilityWindow> <alignmentTimeWindow>0</alignmentTimeWindow> <alignmentIonMobilityWindow>0</alignmentIonMobilityWindow> <numberOfCandidatesMsms>15</numberOfCandidatesMsms> <compositionPrediction>0</compositionPrediction> <quantMode>1</quantMode> <massDifferenceMods> </massDifferenceMods> <mainSearchMaxCombinations>200</mainSearchMaxCombinations> <writeMsScansTable>False</writeMsScansTable> <writeMsmsScansTable>True</writeMsmsScansTable> <writePasefMsmsScansTable>True</writePasefMsmsScansTable> <writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable> <writeMs3ScansTable>True</writeMs3ScansTable> <writeAllPeptidesTable>True</writeAllPeptidesTable> <writeMzRangeTable>True</writeMzRangeTable> <writeDiaFragmentTable>False</writeDiaFragmentTable> <writeMzTab>False</writeMzTab> <disableMd5>False</disableMd5> <cacheBinInds>True</cacheBinInds> <etdIncludeB>False</etdIncludeB> <ms2PrecursorShift>0</ms2PrecursorShift> <complementaryIonPpm>20</complementaryIonPpm> <variationParseRule/> <variationMode>none</variationMode> <useSeriesReporters>False</useSeriesReporters> <name>session1</name> <maxQuantVersion>1.6.17.0</maxQuantVersion> <pluginFolder/> <numThreads>1</numThreads> <batchSize>1</batchSize> <emailAddress/> <smtpHost/> <emailFromAddress/> <fixedCombinedFolder/> <fullMinMz>-1.79769313486232E+308</fullMinMz> <fullMaxMz>1.79769313486232E+308</fullMaxMz> <sendEmail>False</sendEmail> <ionCountIntensities>False</ionCountIntensities> <verboseColumnHeaders>False</verboseColumnHeaders> <calcPeakProperties>False</calcPeakProperties> <showCentroidMassDifferences>False</showCentroidMassDifferences> <showIsotopeMassDifferences>False</showIsotopeMassDifferences> <useDotNetCore>True</useDotNetCore> <profilePerformance>False</profilePerformance> <filePaths> <string>/tmp/tmpfjtbnut8/job_working_directory/000/5/working/BSA_min_21.mzXML</string> <string>/tmp/tmpfjtbnut8/job_working_directory/000/5/working/BSA_min_22.mzxml</string> </filePaths> <experiments> <string/> <string/> </experiments> <fractions> <short>32767</short> <short>32767</short> </fractions> <ptms> <boolean>False</boolean> <boolean>False</boolean> </ptms> <paramGroupIndices> <int>0</int> <int>0</int> </paramGroupIndices> <referenceChannel> <string/> <string/> </referenceChannel> <intensPred>False</intensPred> <intensPredModelReTrain>False</intensPredModelReTrain> <parameterGroups> <parameterGroup> <msInstrument>0</msInstrument> <maxCharge>7</maxCharge> <minPeakLen>2</minPeakLen> <diaMinPeakLen>2</diaMinPeakLen> <useMs1Centroids>False</useMs1Centroids> <useMs2Centroids>False</useMs2Centroids> <cutPeaks>True</cutPeaks> <gapScans>1</gapScans> <minTime>NaN</minTime> <maxTime>NaN</maxTime> <matchType>MatchFromAndTo</matchType> <intensityDetermination>0</intensityDetermination> <centroidMatchTol>8</centroidMatchTol> <centroidMatchTolInPpm>True</centroidMatchTolInPpm> <centroidHalfWidth>35</centroidHalfWidth> <centroidHalfWidthInPpm>True</centroidHalfWidthInPpm> <valleyFactor>1.4</valleyFactor> <isotopeValleyFactor>1.2</isotopeValleyFactor> <advancedPeakSplitting>False</advancedPeakSplitting> <intensityThresholdMs1>0</intensityThresholdMs1> <intensityThresholdMs2>0</intensityThresholdMs2> <labelMods> <string/> </labelMods> <lcmsRunType>Standard</lcmsRunType> <reQuantify>False</reQuantify> <lfqMode>0</lfqMode> <lfqSkipNorm>False</lfqSkipNorm> <lfqNormClusterSize>80</lfqNormClusterSize> <lfqMinEdgesPerNode>3</lfqMinEdgesPerNode> <lfqAvEdgesPerNode>6</lfqAvEdgesPerNode> <lfqMaxFeatures>100000</lfqMaxFeatures> <neucodeMaxPpm>0</neucodeMaxPpm> <neucodeResolution>0</neucodeResolution> <neucodeResolutionInMda>False</neucodeResolutionInMda> <neucodeInSilicoLowRes>False</neucodeInSilicoLowRes> <fastLfq>True</fastLfq> <lfqRestrictFeatures>False</lfqRestrictFeatures> <lfqMinRatioCount>2</lfqMinRatioCount> <maxLabeledAa>0</maxLabeledAa> <maxNmods>5</maxNmods> <maxMissedCleavages>0</maxMissedCleavages> <multiplicity>1</multiplicity> <enzymeMode>0</enzymeMode> <complementaryReporterType>0</complementaryReporterType> <reporterNormalization>0</reporterNormalization> <neucodeIntensityMode>0</neucodeIntensityMode> <fixedModifications> <string>Carbamidomethyl (C)</string> </fixedModifications> <enzymes> <string>Trypsin/P</string> </enzymes> <enzymesFirstSearch> </enzymesFirstSearch> <enzymeModeFirstSearch>0</enzymeModeFirstSearch> <useEnzymeFirstSearch>False</useEnzymeFirstSearch> <useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch> <variableModifications> <string>Oxidation (M)</string> <string>Acetyl (Protein N-term)</string> </variableModifications> <useMultiModification>False</useMultiModification> <multiModifications> </multiModifications> <isobaricLabels> </isobaricLabels> <neucodeLabels> </neucodeLabels> <variableModificationsFirstSearch> </variableModificationsFirstSearch> <hasAdditionalVariableModifications>False</hasAdditionalVariableModifications> <additionalVariableModifications> </additionalVariableModifications> <additionalVariableModificationProteins> </additionalVariableModificationProteins> <doMassFiltering>True</doMassFiltering> <firstSearchTol>20</firstSearchTol> <mainSearchTol>4.5</mainSearchTol> <searchTolInPpm>True</searchTolInPpm> <isotopeMatchTol>2</isotopeMatchTol> <isotopeMatchTolInPpm>True</isotopeMatchTolInPpm> <isotopeTimeCorrelation>0.6</isotopeTimeCorrelation> <theorIsotopeCorrelation>0.6</theorIsotopeCorrelation> <checkMassDeficit>True</checkMassDeficit> <recalibrationInPpm>True</recalibrationInPpm> <intensityDependentCalibration>False</intensityDependentCalibration> <minScoreForCalibration>70</minScoreForCalibration> <matchLibraryFile>False</matchLibraryFile> <libraryFile/> <matchLibraryMassTolPpm>0</matchLibraryMassTolPpm> <matchLibraryTimeTolMin>0</matchLibraryTimeTolMin> <matchLabelTimeTolMin>0</matchLabelTimeTolMin> <reporterMassTolerance>NaN</reporterMassTolerance> <reporterPif>NaN</reporterPif> <filterPif>False</filterPif> <reporterFraction>NaN</reporterFraction> <reporterBasePeakRatio>NaN</reporterBasePeakRatio> <timsHalfWidth>0</timsHalfWidth> <timsStep>0</timsStep> <timsResolution>0</timsResolution> <timsMinMsmsIntensity>0</timsMinMsmsIntensity> <timsRemovePrecursor>True</timsRemovePrecursor> <timsIsobaricLabels>False</timsIsobaricLabels> <timsCollapseMsms>True</timsCollapseMsms> <crossLinkingType>0</crossLinkingType> <crossLinker/> <minMatchXl>0</minMatchXl> <minPairedPepLenXl>6</minPairedPepLenXl> <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> <crosslinkModifications> </crosslinkModifications> <crosslinkFastaFiles> </crosslinkFastaFiles> <crosslinkSites> </crosslinkSites> <crosslinkNetworkFiles> </crosslinkNetworkFiles> <crosslinkMode/> <peakRefinement>False</peakRefinement> <isobaricSumOverWindow>True</isobaricSumOverWindow> <isobaricWeightExponent>0.75</isobaricWeightExponent> <diaLibraryType>0</diaLibraryType> <diaLibraryPath/> <diaPeptidePaths> </diaPeptidePaths> <diaEvidencePaths> </diaEvidencePaths> <diaMsmsPaths> </diaMsmsPaths> <diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm> <diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm> <diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering> <diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering> <diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering> <diaScoreN>7</diaScoreN> <diaMinScore>2.99</diaMinScore> <diaXgBoostBaseScore>0.4</diaXgBoostBaseScore> <diaXgBoostSubSample>0.9</diaXgBoostSubSample> <centroidPosition>0</centroidPosition> <diaQuantMethod>7</diaQuantMethod> <diaFeatureQuantMethod>2</diaFeatureQuantMethod> <lfqNormType>1</lfqNormType> <diaTopNForQuant>10</diaTopNForQuant> <diaMinMsmsIntensityForQuant>0</diaMinMsmsIntensityForQuant> <diaTopMsmsIntensityQuantileForQuant>0.85</diaTopMsmsIntensityQuantileForQuant> <diaPrecursorFilterType>0</diaPrecursorFilterType> <diaMinFragmentOverlapScore>1</diaMinFragmentOverlapScore> <diaMinPrecursorScore>0.5</diaMinPrecursorScore> <diaMinProfileCorrelation>0</diaMinProfileCorrelation> <diaXgBoostMinChildWeight>9</diaXgBoostMinChildWeight> <diaXgBoostMaximumTreeDepth>12</diaXgBoostMaximumTreeDepth> <diaXgBoostEstimators>580</diaXgBoostEstimators> <diaXgBoostGamma>0.9</diaXgBoostGamma> <diaXgBoostMaxDeltaStep>3</diaXgBoostMaxDeltaStep> <diaGlobalMl>True</diaGlobalMl> <diaAdaptiveMassAccuracy>False</diaAdaptiveMassAccuracy> <diaMassWindowFactor>3.3</diaMassWindowFactor> <diaRtPrediction>False</diaRtPrediction> <diaRtPredictionSecondRound>False</diaRtPredictionSecondRound> <diaNoMl>False</diaNoMl> <diaPermuteRt>False</diaPermuteRt> <diaPermuteCcs>False</diaPermuteCcs> <diaBackgroundSubtraction>False</diaBackgroundSubtraction> <diaBackgroundSubtractionQuantile>0.5</diaBackgroundSubtractionQuantile> <diaBackgroundSubtractionFactor>4</diaBackgroundSubtractionFactor> <diaLfqWeightedMedian>False</diaLfqWeightedMedian> </parameterGroup> </parameterGroups> <msmsParamsArray> <msmsParams> <Name>FTMS</Name> <MatchTolerance>20</MatchTolerance> <MatchToleranceInPpm>True</MatchToleranceInPpm> <DeisotopeTolerance>7</DeisotopeTolerance> <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> <DeNovoTolerance>10</DeNovoTolerance> <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> <Deisotope>True</Deisotope> <Topx>12</Topx> <TopxInterval>100</TopxInterval> <HigherCharges>True</HigherCharges> <IncludeWater>True</IncludeWater> <IncludeAmmonia>True</IncludeAmmonia> <DependentLosses>True</DependentLosses> <Recalibration>False</Recalibration> </msmsParams> <msmsParams> <Name>ITMS</Name> <MatchTolerance>0.5</MatchTolerance> <MatchToleranceInPpm>False</MatchToleranceInPpm> <DeisotopeTolerance>0.15</DeisotopeTolerance> <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> <DeNovoTolerance>0.25</DeNovoTolerance> <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> <Deisotope>False</Deisotope> <Topx>8</Topx> <TopxInterval>100</TopxInterval> <HigherCharges>True</HigherCharges> <IncludeWater>True</IncludeWater> <IncludeAmmonia>True</IncludeAmmonia> <DependentLosses>True</DependentLosses> <Recalibration>False</Recalibration> </msmsParams> <msmsParams> <Name>TOF</Name> <MatchTolerance>40</MatchTolerance> <MatchToleranceInPpm>True</MatchToleranceInPpm> <DeisotopeTolerance>0.01</DeisotopeTolerance> <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> <DeNovoTolerance>0.02</DeNovoTolerance> <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> <Deisotope>True</Deisotope> <Topx>10</Topx> <TopxInterval>100</TopxInterval> <HigherCharges>True</HigherCharges> <IncludeWater>True</IncludeWater> <IncludeAmmonia>True</IncludeAmmonia> <DependentLosses>True</DependentLosses> <Recalibration>False</Recalibration> </msmsParams> <msmsParams> <Name>Unknown</Name> <MatchTolerance>20</MatchTolerance> <MatchToleranceInPpm>True</MatchToleranceInPpm> <DeisotopeTolerance>7</DeisotopeTolerance> <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> <DeNovoTolerance>10</DeNovoTolerance> <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> <Deisotope>True</Deisotope> <Topx>12</Topx> <TopxInterval>100</TopxInterval> <HigherCharges>True</HigherCharges> <IncludeWater>True</IncludeWater> <IncludeAmmonia>True</IncludeAmmonia> <DependentLosses>True</DependentLosses> <Recalibration>False</Recalibration> </msmsParams> </msmsParamsArray> <fragmentationParamsArray> <fragmentationParams> <Name>CID</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>HCD</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>ETD</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>PQD</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>ETHCD</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>ETCID</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>UVPD</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> <fragmentationParams> <Name>Unknown</Name> <Connected>False</Connected> <ConnectedScore0>1</ConnectedScore0> <ConnectedScore1>1</ConnectedScore1> <ConnectedScore2>1</ConnectedScore2> <InternalFragments>False</InternalFragments> <InternalFragmentWeight>1</InternalFragmentWeight> <InternalFragmentAas>KRH</InternalFragmentAas> </fragmentationParams> </fragmentationParamsArray> </MaxQuantParams>